Magnetic Properties of Hydrogen Fluoride. I. Rotational Moment

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Abstract
A variation‐perturbation formulation is presented for the calculation of the electronic contribution to the rotational energy and magnetic moment of a 1Σ molecule. An application of the method to a one‐center single‐configuration wave function for hydrogen fluoride is given and compared with a two‐center function result. The calculated magnetic moment is found to be 0.9276 nuclear magnetons for the one‐center function and 0.6354 nuclear magnetons for the two‐center function in comparison with the experimental value of 0.7392 nuclear magnetons. Analysis of the results shows that the nuclear charges make the dominant contribution and that the electronic ``slippage'' is almost complete. Furthermore, the convergence of the variational expansion indicates that a significant improvement in the theoretical value probably requires refinements in the ground‐state wave function.

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